2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid

C14H19NO4 — CID 119187691

IUPAC2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)COCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-14(2,13(17)18)15-12(16)10-19-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWAXJQVNDAXICIH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.23
Rot. Bonds7

About 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid

2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid (PubChem CID 119187691) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
PubChem CID119187691
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)COCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-14(2,13(17)18)15-12(16)10-19-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWAXJQVNDAXICIH-UHFFFAOYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
N-(2-amino-2-ethylbutyl)-2-(2-phenylethoxy)acetamide
CID 119643311
2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
CID 119187574
N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
CID 114988878
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
CID 114987450
N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide
CID 86872196
2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
CID 66656181
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119191395
methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
CID 114990437

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid (CID 119187691) is 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid is CC(C)(NC(=O)COCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid?
The InChIKey is WAXJQVNDAXICIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,13(17)18)15-12(16)10-19-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 119187691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).